SCHEMBL10845693

SCHEMBL10845693

c1ccc(CCN2CCN(c3nsc4ccccc34)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.72
HTR7 P34969 2/20 0.72
DRD2 P14416 4/20 0.62
HTR2A P28223 4/20 0.62
KCNH2 Q12809 2/20 0.62
DRD3 P35462 1/20 0.60
HTR6 P50406 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6105283 0.90 HTR1A (0.70) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL6104289 0.87 HTR1A (0.69) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL10842323 0.86 HTR1A (0.61) HTR1AHTR7DRD2HTR2ADRD3
SCHEMBL6108056 0.85 HTR1A (0.61) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL6105280 0.85 HTR1A (0.64) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL6104704 0.85 HTR1A (0.64) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL11634905 0.85 HTR1A (0.64) HTR1AHTR7DRD2HTR2ADRD3
SCHEMBL6105749 0.84 HTR1A (0.60) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL6108140 0.84 HTR1A (0.57) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL6108853 0.84 HTR1A (0.66) HTR1AHTR7DRD2HTR2AKCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4590196-A NON-OPIATE BRISTOL-MYERS COMPANY (US) 1986-05-20 US claimed